MoDeNa  1.0
Software framework facilitating sequential multi-scale modelling
globals.f90
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1 
8 module globals
9  use constants
10  implicit none
11  character(len=99) :: &
12  fileplacein,& !< location of input files
13  fileplaceout,& !< location of output files
14  inputs,& !< input file
15  outputs_1d,& !< output file with scalar variables
16  outputs_gr,& !< output file for the surrogate model fitting
17  outputs_c,& !< output file with concentration profiles
18  outputs_kin,& !< output file with variables of detailed kinetic model
19  outputs_drain,& !< output file for the wall drainage
20  outputs_af,& !< final foam properties for foam cond. and foam aging
21  geometry
22  logical :: &
23  inertial_term,& !<include inertial term in equations (t/f)
24  solcorr,& !<use solubility correction on bubble radius (t/f)
25  surfactantpresent,& !<surfactant is present - pcsaft caluclation (t/f)
26  gelpoint,& !<gel point reached (t/f)
27  dilution,& !<use dilution effect for kinetics (t/f)
28  shooting
29  integer :: &
30  fi1,fi2,fi3,fi4,fi5,& !<file indices
31  integrator,& !<integrator. 1=dlsode,2=dlsodes
32  int_meth,& !< stiff or no? See MF for ODEPACK
33  p,& !<number of internal nodes
34  maxts,& !<maximum inner time steps between t and t+h
35  its,& !<number of outer integration outer time steps
36  visc_model,& !<viscosity model. 1=constant,2=Castro and Macosko,3=modena
37  rhop_model,& !<polymer density model. 1=constant,2=modena
38  itens_model,& !<interfacial tension model. 1=constant,2=modena
39  kin_model,& !<reaction kinetics model.
40  ngas,& !<number of dissolved gases
41  co2_pos,& !<carbon dioxide position
42  fceq,& !<first concentration equation (index)
43  fpeq,& !<first pressure equation (index)
44  lpeq,& !<last pressure equation (index)
45  req,& !<radius equation (index)
46  teq,& !<temperature equation (index)
47  xoheq,& !<polyol conversion equation (index)
48  xweq
49  real(dp) :: &
50  mshco,& !<mesh coarsening parameter
51  temp0,& !<initial temperature
52  r0,& !<initial radius
53  nb0,& !<initial bubble number density
54  sn,& !<how many times is initial shell larger than initial bubble radius
55  oh0,& !<initial concentration of polyol (don't set to zero)
56  W0,& !<initial concentration of water (can be zero)
57  NCO0,& !<initial concentration of isocyanate
58  catalyst,& !<concentration of catalyst
59  polyol1_ini,& !<initial concentration of polyol 1
60  polyol2_ini,& !<initial concentration of polyol 2
61  amine_ini,& !<initial concentration of amine
62  isocyanate1_ini,& !<initial concentration of isocyanate 1
63  isocyanate2_ini,& !<initial concentration of isocyanate 2
64  isocyanate3_ini,& !<initial concentration of isocyanate 3
65  AOH,& !<frequential factor of gelling reaction
66  EOH,& !<activation energy of gelling reaction
67  AW,& !<frequential factor of blowing reaction
68  EW,& !<activation energy of blowing reaction
69  dHOH,& !<gelling reaction enthalpy
70  dHW,& !<blowing reaction enthalpy
71  time,& !<time (s)
72  radius,& !<bubble radius (m)
73  laplace_pres,& !<Laplace pressure (Pa)
74  eqconc,& !<equivalent concentration for first gas
75  grrate(2),& !<growth rate
76  st,& !<shell thickness
77  S0,& !<initial shell thickness
78  rel_tol,& !<relative tolerance
79  abs_tol,& !<absolute tolerance
80  eta,& !<viscosity
81  pamb,& !<ambient pressure (in the liquid)
82  sigma,& !<interfacial tension
83  rhop,& !<polymer density
84  cp,& !<heat capacity of the reaction mixture
85  cppol,& !<heat capacity of polymer
86  rhobl,& !<density of liquid physical blowing agent
87  porosity,& !<foam porosity
88  rhofoam,& !<foam density
89  pair0,& !<initial partial pressure of air
90  pair,& !<partial pressure of air
91  timestep,& !<timestep
92  goalRadius,& !<final radius we want to achieve
93  nold(2),& !<moles in bubble
94  vsh,& !<shell volume
95  temp,& !<temperature (K)
96  conv,& !<conversion of polyol
97  gelpointconv,& !<conversion of polyol at gel point
98  Rey,& !<Reynolds number
99  pairst,& !<non-dimensional air pressure
100  pambst,& !<non-dimensional ambient pressure
101  Ca !<capillary number
102  integer, dimension(:), allocatable :: &
103  diff_model,& !<diffusivity model 1=constant,2=modena
104  sol_model,& !<solubility model 1=constant,2=modena
105  kineq !<kinetics state variable equations (indexes)
106  real(dp), dimension(:), allocatable :: &
107  y,& !<state variables
108  cbl,& !<concentration profile in reaction mixture
109  xgas,& !<initial molar fraction of gases in the bubble
110  kinsource,& !<kinetic source term
111  D,& !<diffusion coefficients (for each dissolved gas)
112  D0,& !<initial diffusion coefficients used in non-dimensional routines
113  KH,& !<Henry constants (for each dissolved gas)
114  Mbl,& !<blowing agent molar mass (for each dissolved gas)
115  dHv,& !<evaporation heat of blowing agent (for each gas)
116  cpblg,& !<heat capacity of blowing agent in gas phase (for each gas)
117  cpbll,& !<heat capacity of blowing agent in liquid phase (for each gas)
118  mb,& !<moles in polymer
119  mb2,& !<moles in bubble
120  mb3,& !<total moles
121  avconc,& !<average concentration in reaction mixture
122  pressure,& !<partial pressure(Pa)
123  wblpol,& !<weight fraction of blowing agents in reaction mixture
124  dz !<spatial discretization
125 end module globals
character(len=99) inputs
input file
Definition: globals.f90:11
logical surfactantpresent
surfactant is present - pcsaft caluclation (t/f)
Definition: globals.f90:22
logical gelpoint
gel point reached (t/f)
Definition: globals.f90:22
character(len=99) outputs_drain
output file for the wall drainage
Definition: globals.f90:11
logical solcorr
use solubility correction on bubble radius (t/f)
Definition: globals.f90:22
integer teq
temperature equation (index)
Definition: globals.f90:29
integer ngas
number of dissolved gases
Definition: globals.f90:29
integer rhop_model
polymer density model. 1=constant,2=modena
Definition: globals.f90:29
character(len=99) outputs_kin
output file with variables of detailed kinetic model
Definition: globals.f90:11
real(dp) nb0
initial bubble number density
Definition: globals.f90:49
integer req
radius equation (index)
Definition: globals.f90:29
logical dilution
use dilution effect for kinetics (t/f)
Definition: globals.f90:22
real(dp) sn
how many times is initial shell larger than initial bubble radius
Definition: globals.f90:49
logical inertial_term
include inertial term in equations (t/f)
Definition: globals.f90:22
character(len=99) fileplacein
location of input files
Definition: globals.f90:11
character(len=99) geometry
geometry 3D=spherical, 2D=cylindrical
Definition: globals.f90:11
logical shooting
am I using shooting method (t/f)
Definition: globals.f90:22
real(dp) mshco
mesh coarsening parameter
Definition: globals.f90:49
integer lpeq
last pressure equation (index)
Definition: globals.f90:29
integer itens_model
interfacial tension model. 1=constant,2=modena
Definition: globals.f90:29
integer integrator
integrator. 1=dlsode,2=dlsodes
Definition: globals.f90:29
real(dp) temp0
initial temperature
Definition: globals.f90:49
integer co2_pos
carbon dioxide position
Definition: globals.f90:29
character(len=99) outputs_gr
output file for the surrogate model fitting
Definition: globals.f90:11
character(len=99) outputs_af
final foam properties for foam cond. and foam aging
Definition: globals.f90:11
integer kin_model
reaction kinetics model.
Definition: globals.f90:29
integer its
number of outer integration outer time steps
Definition: globals.f90:29
integer fceq
first concentration equation (index)
Definition: globals.f90:29
integer fi5
file indices
Definition: globals.f90:29
integer xoheq
polyol conversion equation (index)
Definition: globals.f90:29
character(len=99) outputs_c
output file with concentration profiles
Definition: globals.f90:11
character(len=99) fileplaceout
location of output files
Definition: globals.f90:11
real(dp) r0
initial radius
Definition: globals.f90:49
integer fpeq
first pressure equation (index)
Definition: globals.f90:29
namespace with global variables
Definition: globals.f90:8
integer p
number of internal nodes
Definition: globals.f90:29
character(len=99) outputs_1d
output file with scalar variables
Definition: globals.f90:11
integer maxts
maximum inner time steps between t and t+h
Definition: globals.f90:29
real(dp) oh0
initial concentration of polyol (don&#39;t set to zero)
Definition: globals.f90:49
integer visc_model
viscosity model. 1=constant,2=Castro and Macosko,3=modena
Definition: globals.f90:29
integer xweq
water conversion equation (index)
Definition: globals.f90:29
integer int_meth
stiff or no? See MF for ODEPACK
Definition: globals.f90:29